Geometry & MOs

Info

ID:

162873

PubChem CID:

57578185

Reduced:

SN3O3C65H65 (1)

Stoich.:

AB3C3D65E65 (1)

Weight, g/mol:

942.454263

ΔHf, kcal/mol:

47.43

Dipole, Da:

4.04

IP(EA), eV:

 -7.93(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[[5-[4-[bis(9,9-dibutylfluoren-2-yl)amino]phenyl]thiophen-2-yl]methylidene]-5-oxo-1-pyridin-4-ylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)/C=C/C=C\6/C(=NN(C6=O)C7=CC=CC=C7)C(=O)O)C8=CC9=C(C=C8)C1=CC=CC=C1C9(CCCC)CCCC)CCCC

DOS

IR

Vibrations